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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Effects of neutron irradiation on hydrogen isotope permeation on W-Re

Hydrogen and deuterium permeation behavior for neutron damaged W and W-3 %Re was evaluated using a Plasma Driven Permeation device. For neutron damaged W-3 %Re at 773 K and 1473 K, precipitation of Re and Os was observed by atom probe tomography. Neutron irradiation introduced defect damage throughout the sample and enhanced H and D diffusion toward downstream side. The existence of irradiation damage by neutron irradiation was found to increase hydrogen isotope permeation. Moreover, the existence of Re has suppressed the formation of irradiation defects for hydrogen isotope trapping sites. Further, the recovery of irradiation defects by increasing the irradiation temperature led to the structural changes due to the diffusion of Re and Os, which also affected the hydrogen isotope permeation behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Selective permeation up a chemical potential gradient to enable an unusual solvent purification modality

The need for energy-efficient recovery of organic solutes from aqueous streams is becoming more urgent as chemical manufacturing transitions toward nonconventional and bio-based feedstocks and processes. In addition to this, many aqueous waste streams contain recalcitrant organic contaminants, such as pharmaceuticals, industrial solvents, and personal care products, that must be removed prior to reuse. We observe that rigid carbon membrane materials can remove and concentrate organic contaminants via an unusual liquid-phase membrane permeation modality. Surprisingly, detailed thermodynamic calculations on the chemical potential of the organic contaminant reveal that the organic species has a higher chemical potential on the permeate side of the membrane than on the feed side of the membrane. This unusual observation challenges conventional membrane transport theory that posits that all permeating species move from high chemical potential states to lower chemical potential states. Based on experimental measurements, we hypothesize that the organic is concentrated in the membrane relative to water via favorable binding interactions between the organic and the carbon membrane. The concentrated organic is then swept through the membrane via the bulk flow of water in a modality known as “sorp-vection.” We highlight via simplified nonequilibrium thermodynamic models that this “uphill” chemical potential permeation of the organic does not result in second-law violations and can be deduced via measurements of the organic and water sorption and diffusion rates into the carbon membrane. Moreover, this work identifies the need to consider such nonidealities when incorporating unique, rigid materials for the separations of aqueous waste streams.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Hydrogen Permeation Analysis Tool

There is a rising need for the measurement and understanding of hydrogen transport properties in materials for the energy and transportation industries. The Hydrogen Permeation Analysis Tool (HyPAT) provides a user friendly interface for batch analysis of dynamic hydrogen permeation data to calculate the transport properties permeability, solubility, and diffusivity. A built in literature database provides an easy comparison to known values. A common method for measuring these hydrogen transport properties is dynamic pressure rise permeation experiments, for example, those done in the Static Gas Absorption and Permeation (SGAP) experiment at INL. Most laboratories develop individual, in-house codes for data analysis. HyPAT provides a platform that can be adopted by other user groups for such experimental analysis and significantly reduce personnel time spent performing data analysis.

Fuerst, ThomasF↗
DOE OSTI2026

Density Functional Theory Analysis of Candidate Tritium Permeation Barriers for Vanadium Alloys as a Fusion Structural Material

Vanadium alloys are being considered as a candidate structural material for the breeder blanket component of future fusion reactors due to their good thermal conductivity, low activation, and chemical compatibility with FLiBe. However, vanadium has a high hydrogen solubility, resulting in hydrogen diffusion and trapping in the vanadium structural alloy and lower than expected tritium breeding ratios. To mitigate the permeation of hydrogen into the structural alloy, a tritium permeation barrier will be coated onto the vanadium alloy. Multiple materials have been proposed as candidate tritium permeation barriers, but the extent to which each of these materials impacts hydrogen diffusion and trapping is still unknown. In this project, we perform atomic-scale calculations to narrow down the list of potential tritium permeation barrier candidates and to understand the mechanisms through which hydrogen diffusion is affected in these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane

Recent experimental work has shown zeolite membrane-based separation as a promising potential technology for Kr/Xe gas mixtures due to its much lower energy requirements in comparison to cryogenic distillation, the conventional separation method for such mixtures. Such a separation is also economically rewarding because Xe is in high demand, as a valuable product for many applications/processes. In this work, we have used Molecular Dynamics (MD) simulations to study the effects of different conditions, i.e., temperature, pressure, and gas feed composition, on Kr/Xe separation performance via DD3R zeolite membranes. We provide a comprehensive study of the permeation of the different gas species, density profiles, and diffusion coefficients. Molecular simulations show that if the feed is changed from pure Kr/Xe to an equimolar mixture, the Kr/Xe separation factor increases, which agrees with experiments. In addition, when Ar is introduced as a sweep gas, the adsorption of both Kr and Xe increases, while the permeation of pure Kr increases. A similar behavior is observed with equimolar mixtures of Kr/Xe with Ar as the sweep gas. High-separation Kr/Xe selectivity is observed at 50 atm and 425 K but with low total permeation rates. Changing pressure and temperature are found to have profound effects on optimizing the separation selectivity and the permeation throughput.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Gas phase hydrogen permeation in alpha titanium and carbon steels

Commercially pure titanium and heats of Armco ingot iron and steels containing from 0.008-1.23 w/oC were annealed or normalized and machined into hollow cylinders. Coefficients of diffusion for alpha-Ti and alpha-Fe were determined by the lag-time technique. Steady state permeation experiments yield first power pressure dependence for alpha-Ti and Sievert's law square root dependence for Armco iron and carbon steels. As in the case of diffusion, permeation data confirm that alpha-titanium is subject to at least partial phase boundary reaction control while the steels are purely diffusion controlled. The permeation rate in steels also decreases as the carbon content increases. As a consequence of Sievert's law, the computed hydrogen solubility decreases as the carbon content increases. This decreases in explained in terms of hydrogen trapping at carbide interfaces. Oxidizing and nitriding the surfaces of alpha-titanium membranes result in a decrease in the permeation rate for such treatment on the gas inlet surfaces but resulted in a slight increase in the rate for such treatment on the gas outlet surfaces. This is explained in terms of a discontinuous TiH2 layer.

Johnson, D. L.↗
NASA NTRS1982

Evaluation of dopants in hydrogen to reduce hydrogen permeation in candidate Stirling engine heater head tube alloys at 760 deg and 820 deg

Alloy tubes filled with hydrogen doped with various amounts of carbon monoxide, carbon dioxide, ethane, ethylene, methane, ammonia, or water were heated in a diesel fuel-fired Stirling engine simulator materials test rig for 100 hours at 21 MPa and 760 or 820 C to determine the effectiveness of the dopants in reducing hydrogen permeation through the hot tube walls. Ultra high purity (UHP) hydrogen was used for comparison. The tube alloys were N-155, A-286, Incoloy 800, Nitronic 40, 19-9DL, 316 stainless steel, Inconel 718, and HS-188. Carbon dioxide and carbon monoxide in the concentration range 0.2 to 5 vol % were most effective in reducing hydrogen permeation through the hot tube walls for all alloys. Ethane, ethylene, methane, ammonia, and water at the concentrations investigated were not effective in reducing the permeation below that achieved with UHP hydrogen. One series of tests were conducted with UHP hydrogen in carburized tubes. Carburization of the tubes prior to exposure reduced permeation to values similar to those for carbon monoxide; however, carbon dioxide was the most effective dopant.

Misencik, J. A.↗
NASA NTRS1999

Sensitive Procedures for Determining the Permeation Resistance of Chlorinated Polyethylene Against Liquid Propellants

The permeation resistance of chlorinated polyethylene (CPE) used in totally encapsulating chemical protective suits against the aerospace fuels hydrazine, monomethylhydrazine, and uns-dimethylhydrazine was determined by measuring the breakthrough time (BT) and time-averaged vapor transmission rate (VTR) using procedures consistent with ASTM F 739 and ASTM F 1383. Two exposure scenarios were simulated: a 2 hour (h) fuel vapor exposure, and a liquid fuel "splash" followed by a 2 h vapor exposure. To simulate internal suit pressure during operation, a positive differential pressure of 0.3 in. water (75 Pa) on the collection side of the permeation apparatus was used. Using the available data, a model was developed to estimate propellant concentrations inside an air-line fed, totally encapsulating chemical protective suit. Concentrations were calculated under simulated conditions of fixed vapor transmission rate, variable breathing air flow rate, and variable splash exposure area. Calculations showed that the maximum allowable permeation rates of hydrazine fuels through CPE were of the order of 0.05 to 0.08 ng/sq cm min for encapsulating suits with low breathing air flow rates (of the order of 5 scfm or 140 L min-1). Above these permeation rates, the 10 parts-per-billion (ppb) threshold limit value time-weighted average could be exceeded. To evaluate suit performance at 10 ppb threshold-limiting value/time-weighted average level concentrations, use of a sensitive analytical method such as cation exchange high performance liquid chromatography with amperometric detection was found to be essential. The analytical detection limit determines the lowest measurable VTR, which in turn governed the lowest per meant concentration that could be calculated inside the totally encapsulating chemical protective suit.

Waller, Jess M.↗
NASA NTRS1996

Permeation of protons, potassium ions, and small polar molecules through phospholipid bilayers as a function of membrane thickness

Two mechanisms have been proposed to account for solute permeation of lipid bilayers. Partitioning into the hydrophobic phase of the bilayer, followed by diffusion, is accepted by many for the permeation of water and other small neutral solutes, but transient pores have also been proposed to account for both water and ionic solute permeation. These two mechanisms make distinctively different predictions about the permeability coefficient as a function of bilayer thickness. Whereas the solubility-diffusion mechanism predicts only a modest variation related to bilayer thickness, the pore model predicts an exponential relationship. To test these models, we measured the permeability of phospholipid bilayers to protons, potassium ions, water, urea, and glycerol. Bilayers were prepared as liposomes, and thickness was varied systematically by using unsaturated lipids with chain lengths ranging from 14 to 24 carbon atoms. The permeability coefficient of water and neutral polar solutes displayed a modest dependence on bilayer thickness, with an approximately linear fivefold decrease as the carbon number varied from 14 to 24 atoms. In contrast, the permeability to protons and potassium ions decreased sharply by two orders of magnitude between 14 and 18 carbon atoms, and leveled off, when the chain length was further extended to 24 carbon atoms. The results for water and the neutral permeating solutes are best explained by the solubility-diffusion mechanism. The results for protons and potassium ions in shorter-chain lipids are consistent with the transient pore model, but better fit the theoretical line predicted by the solubility-diffusion model at longer chain lengths.

NASA Program Exobiology↗
NASA NTRS2019

Permeation Rate Equations for Hydrogen and Deuterium in a Palladium-Silver Alloy

Mass transfer of a gas through a selective, solid membrane is an effective method for separation of desired species. This selective permeability is evident in the flow of hydrogen and the isotope deuterium through palladium-silver metal alloy media. In this study, based upon Sieverts’s law and the Arrhenius diffusion equation, an empirical correlation was developed to determine the steady-state permeation rate R, dependence on media temperature T, gas supply pressure p(sub S), and gas backpressure p(sub B) on the lower pressure side. Because of an extensive range of experimental conditions and complete reporting of raw data, the research by Ackerman and Koskinas was used as a source for data allowing empirical equation fitting. Unfortunately, those authors reported best-fit equations that poorly represented their own results. To improve the modeling of the original data and demonstrate the quality of the measurements, the current study develops improved hydrogen and deuterium permeation rate equations: P = 4.22×10(exp −6) A[exp(−704/T)](sq. root p(sub S) − sq. root p(sub B))/t for hydrogen P = 2.12×10(exp −6) A[exp(−468/T )](sq. root p(sub S) − sq. root p(sub B))/t for deuterium for values of cross-sectional area A (sq.cm), medium thickness t (cm), pressure p (psia), and temperature T (Kelvin), giving a permeation rate in mole/minute. These equations model permeation rate data more closely than do several other existing literature sources.

Smith, Phillip J.↗
DOE OSTI2026

Evaluating hydrogen permeation through medium-density and high-density polyethylene pipes to enable a hydrogen-compatible infrastructure

As the United States and the global community pursue energy abundance and resilience, hydrogen is becoming a critical energy carrier. The future of hydrogen transport depends on one thing: verifying that today’s pipelines are hydrogen ready. This study investigates the permeation behavior of medium-density polyethylene (MDPE) and high-density polyethylene (HDPE) pipelines under pure hydrogen gas environment at various pressures and temperatures. Using thermal desorption analysis (TDA) and direct pipe permeability measurements, hydrogen loss rates are quantified, revealing minimal permeation losses (< 10.5 g/km/day) under realistic operating conditions. Effects of temperature and pressure with Standard Dimension Ratios (SDR), were evaluated to determine their influence on permeation rates of MDPE and HDPE pipelines. In addition, ex-situ density and degree of crystallinity (DOC) of MDPE and HDPEs after hydrogen exposure were also investigated to understand pressure-dependency of polymer properties. The findings provide essential data for assessing polymer-based pipeline materials for safe and reliable hydrogen transport.

08 HYDROGEN↗
DOE OSTI2022

Recent Advances and Prospects in Design of Hydrogen Permeation Barrier Materials for Energy Applications—A Review

The hydrogen infrastructure involves hydrogen production, storage and delivery for utilization with clean energy applications. Hydrogen ingress into structural materials can be detrimental due to corrosion and embrittlement. To enable safe operation in applications that need protection from hydrogen isotopes, this review article summarizes most recent advances in materials design and performance characterization of barrier coatings to prevent hydrogen isotopes’ absorption ingress and permeation. Barriers are crucial to prevent hydride formation and unwanted hydrogen effects to increase safety, materials’ lifetime and reduce cost for applications within nuclear and renewable energy. The coating may be applied on a material that requires protection from hydrogen pick-up, transport and hydride formation in hydrogen storage containers, in pipelines, spent nuclear fuel storage or in nuclear reactors. While existing, commercial coatings that have been much in use may be satisfactory for various applications, it is desirable to evaluate whether alternative coating concepts can provide a greater resistance to hydrogen isotope permeation along with other improved properties, such as mechanical strength and thermal resistance. The information presented here is focusing on recent findings within the past 5–7 years of promising hydrogen barriers including oxides, nitrides, carbon, carbide, MAX-phases and metals and their mechanical strength, hydrogen pick-up, radiation resistance and coating manufacturing techniques. A brief introduction to hydrogen permeation is provided. Knowledge gaps were identified to provide guidance for material’s research prospects.

08 HYDROGEN↗
DOE OSTI2024

A Pseudo‐Surfactant Chemical Permeation Enhancer to Treat Otitis Media via Sustained Transtympanic Delivery of Antibiotics

Abstract Chemical permeation enhancers (CPEs) represent a prevalent and safe strategy to enable noninvasive drug delivery across skin‐like biological barriers such as the tympanic membrane (TM). While most existing CPEs interact strongly with the lipid bilayers in the stratum corneum to create defects as diffusion paths, their interactions with the delivery system, such as polymers forming a hydrogel, can compromise gelation, formulation stability, and drug diffusion. To overcome this challenge, differing interactions between CPEs and the hydrogel system are explored, especially those with sodium dodecyl sulfate (SDS), an ionic surfactant and a common CPE, and those with methyl laurate (ML), a nonionic counterpart with a similar length alkyl chain. Notably, the use of ML effectively decouples permeation enhancement from gelation, enabling sustained delivery across TMs to treat acute otitis media (AOM), which is not possible with the use of SDS. Ciprofloxacin and ML are shown to form a pseudo‐surfactant that significantly boosts transtympanic permeation. The middle ear ciprofloxacin concentration is increased by 70‐fold in vivo in a chinchilla AOM model, yielding superior efficacy and biocompatibility than the previous highest‐performing formulation. Beyond improved efficacy and biocompatibility, this single‐CPE formulation significantly accelerates its progression toward clinical deployment.

Engineering↗
DOE OSTI2022

Multi-lab study on the pure-gas permeation of commercial polysulfone (PSf) membranes: Measurement standards and best practices

Gas-separation membranes are a critical industrial component for a low-carbon and energy-efficient future. As a result, many researchers have been testing membrane materials over the past several decades. Unfortunately, almost all membrane-based testing systems are home-built, and there are no widely accepted material standards or testing protocols in the literature, making it challenging to accurately compare experimental results. Further, in this multi-lab study, ten independent laboratories collected high-pressure pure-gas permeation data for H 2 , O 2 , CH 4 , and N 2 in commercial polysulfone (PSf) films. Equipment information, testing procedures, and permeation data from all labs were collected to provide (1) accepted H 2 , O 2 , CH 4 , and N 2 permeability values at 35°C in PSf as a reference standard, (2) statistical analysis of lab-to-lab uncertainties in evaluating permeability, and (3) a list of best practices for sample preparation, equipment set-up, and permeation testing using constant-volume variable-pressure apparatuses. Results summarized in this work provide a reference standard and recommended testing protocols for pure-gas testing of membrane materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Gas Permeation and Separation Characteristics of Microporous TpHz COF Membranes Synthesized by Substrate-Assisted Interfacial Polymerization

Microporous two-dimensional covalent organic framework (2D COF) membranes offer promise for gas separation applications, but their gas transport mechanism remains unclear. In this study, a TpHz 2D COF membrane supported on a macroporous nylon substrate is prepared by substrate-assisted interfacial polymerization under mild conditions. The formation of a continuous and dense thin (~300 nm thick) TpHz layer is confirmed by scanning electron microscopy and Fourier transform infrared spectroscopy. Characterization by X-ray diffraction, grazing incidence wide-angle X-ray scattering, and N 2 porosimetry qualitatively reveals the microstructures of the supported TpHz membranes, i.e., they comprise partially oriented 2D COF lamellar crystallites with moderate crystallinity in an eclipsed (AA) stacking geometry, centering the effective membrane pore size distribution at ~1.1 nm. Further, single gas permeation data show that the transport of common molecular gases, including H 2 , He, CH 4 , N 2 , and CO 2 , through the synthesized TpHz membranes follows the Knudsen transport mechanism, where single gas permeance decreases with an increasing molecular weight and permeation temperature. Binary gas separation results show that in the equimolar CO 2 /N 2 mixture, the presence of the CO 2 surface flow slightly hinders the N 2 flow at room temperature due to the reduced membrane channel size by the adsorbed CO 2 gas layer on TpHz’s pore wall. In contrast, permeation of the equimolar CH 4 /N 2 binary mixture does not exhibit a discernible surface flow of both gases due to their much lower gas uptake on TpHz, and their transport mechanism follows Knudsen-like behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Monatomic ions influence substrate permeation across bacterial microcompartment shells

Abstract Bacterial microcompartments (BMCs) are protein organelles consisting of an inner enzymatic core encased within a selectively permeable shell. BMC shells are modular, tractable architectures that can be repurposed with new interior enzymes for biomanufacturing purposes. The permeability of BMC shells is function-specific and regulated by biophysical properties of the shell subunits, especially its pores. We hypothesized that ions may interact with pore residues in a manner that influences the substrate permeation process. In vitro activity comparisons between native and broken BMCs demonstrated that increasing NaCl negatively affects permeation rates. Molecular dynamics simulations of the dominant shell protein (BMC-H) revealed that chloride ions preferentially occupy the positive pore, hindering substrate permeation, while sodium cations remain excluded. Overall, these results demonstrate that shell properties influence ion permeability and leverages the integration of experimental and computational techniques to improve our understanding of BMC shells towards their repurposing for biotechnological applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Effect of surface oxides on tritium entrance and permeation in FeCrAl alloys for nuclear fuel cladding: a review

Abstract Iron-chromium-aluminum (FeCrAl) alloys are being considered for the cladding of uranium dioxide fuel in light water reactors (LWRs). FeCrAl alloys have good mechanical properties at temperatures of 300 °C and higher, and have superlative resistance to attack by steam at temperatures of up to 1000 °C and higher. A concern has been raised that the use of FeCrAl for cladding would result in a higher content of tritium in the reactor coolant as compared with the current system where the cladding is a zirconium based alloy. This review shows that the flux of tritium from the fuel rod cavities to the coolant across the fuel cladding wall will be greatly reduced by the presence of oxides on the surface of the cladding. The review of current literature and permeation data show that (a) protective oxides are expected to be present on both sides of the FeCrAl cladding, and (b) depending on the characteristics of these oxide layers it is reasonable to expect about two–three orders of magnitude reduction in tritium permeation, relative to the permeation response in clean, unoxidized condition for FeCrAl steels of interest, around 277 °C–377 °C temperatures.

Electrochemistry↗
DOE OSTI2021

The fluoride permeation pathway and anion recognition in Fluc family fluoride channels

Fluc family fluoride channels protect microbes against ambient environmental fluoride by undermining the cytoplasmic accumulation of this toxic halide. These proteins are structurally idiosyncratic, and thus the permeation pathway and mechanism have no analogy in other known ion channels. Although fluoride-binding sites were identified in previous structural studies, it was not evident how these ions access aqueous solution, and the molecular determinants of anion recognition and selectivity have not been elucidated. Using x-ray crystallography, planar bilayer electrophysiology, and liposome-based assays, we identified additional binding sites along the permeation pathway. We used this information to develop an oriented system for planar lipid bilayer electrophysiology and observed anion block at one of these sites, revealing insights into the mechanism of anion recognition. We propose a permeation mechanism involving alternating occupancy of anion-binding sites that are fully assembled only as the substrate approaches.

59 BASIC BIOLOGICAL SCIENCES↗